SCHEMBL10245063

SCHEMBL10245063

CC(C)C(C)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
CACNA1F O60840 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
ADRA2B P18089 1/20 0.30
CHRM3 P20309 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
OPRK1 P41145 1/20 0.30
CACNA1D Q01668 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12798111 1.00 SLC6A4 (0.39) SLC6A4CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL12966711 1.00 SLC6A4 (0.39) SLC6A4CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL13725538 0.85 SLC6A4 (0.42) SLC6A4CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL10005572 0.85 SLC6A4 (0.42) SLC6A4CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL29444030 0.78 SLC6A4 (0.35) SLC6A4
SCHEMBL14962046 0.76 SLC6A4 (0.43) SLC6A4
SCHEMBL25055337 0.73 PIK3CD (0.30)
SCHEMBL24092098 0.73 SLC6A4 (0.37) SLC6A4
SCHEMBL24092088 0.73 SLC6A4 (0.37) SLC6A4
SCHEMBL24700037 0.71 CACNA1F (0.30) SLC6A4CACNA1FCHRM2CHRM1ADRA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793893-B2 Compounds comprising conductive oligomers, materials formed therefrom, and methods of making and using same THE PENN STATE RESEARCH FOUNDATION (PA) 2023-10-24 US disclosed
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-11524949-B2 Degraders and Degrons for targeted protein degradation C4 THERAPEUTICS, INC. (US) 2022-12-13 US disclosed
US-20220009944-A1 ANALOGUES AND DERIVATIVES OF CEPHALOTAXINE AND METHODS FOR MAKING AND USING THE COMPOUNDS OREGON STATE UNIVERSITY (US) 2022-01-13 US disclosed
US-11032855-B2 System and method for communication of analyte data DEXCOM, INC. (US) 2021-06-08 US disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 US disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 US disclosed
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 US disclosed
US-20080311079-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-18 US disclosed
US-20080311079-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-18 US disclosed
US-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2008-05-29 US disclosed
US-7378422-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-27 US disclosed
US-7365092-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 US disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080311079-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 SLC6A4 1616/4885CACNA1F 4842/4885CHRM2 4880/4885
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto CRHR1, CRHR2, SCTR SLC6A4 159/4885CACNA1F 2117/4885CHRM2 297/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS SLC6A4 4594/4885CACNA1F 4759/4885CHRM2 4883/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL SLC6A4 4727/4885CACNA1F 3867/4885CHRM2 4875/4885
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 SLC6A4 1149/4885CACNA1F 4725/4885CHRM2 4868/4885
US-20220009944-A1 ANALOGUES AND DERIVATIVES OF CEPHALOTAXINE AND METHODS FOR MAKING AND USING THE COMPOUNDS SLC6A2, NAPRT, SLC6A3 SLC6A4 30/4885CACNA1F 1216/4885CHRM2 1449/4885
US-11793893-B2 Compounds comprising conductive oligomers, materials formed therefrom, and methods of making and using same PICALM, ILK, GJB2 SLC6A4 3218/4885CACNA1F 388/4885CHRM2 358/4885
US-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 SLC6A4 1120/4885CACNA1F 4711/4885CHRM2 4866/4885
US-11524949-B2 Degraders and Degrons for targeted protein degradation STUB1, MDM2, USP30 SLC6A4 4642/4885CACNA1F 4786/4885CHRM2 4839/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS SLC6A4 4873/4885CACNA1F 4562/4885CHRM2 4806/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 SLC6A4 448/4885CACNA1F 4533/4885CHRM2 4872/4885
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds SLC6A2, NAPRT, SLC6A3 SLC6A4 30/4885CACNA1F 1216/4885CHRM2 1449/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 SLC6A4 4401/4885CACNA1F 4282/4885CHRM2 3989/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV SLC6A4 4734/4885CACNA1F 3870/4885CHRM2 4876/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS SLC6A4 4873/4885CACNA1F 4562/4885CHRM2 4806/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.